[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-(1-adamantyl)ethanoate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-(1-adamantyl)ethanoate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C23H31NO3S MolecularWeight: 401.56214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H31NO3S/c1-16-2-4-20(5-3-16)28-7-6-24-21(25)15-27-22(26)14-23-11-17-8-18(12-23)10-19(9-17)13-23/h2-5,17-19H,6-15H2,1H3,(H,24,25)